1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine

C17H25ClN2 — CID 114460203

IUPAC1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine
SMILESCC(N)c1ccc(N2CC=C(C(C)(C)C)CC2)cc1Cl
InChIInChI=1S/C17H25ClN2/c1-12(19)15-6-5-14(11-16(15)18)20-9-7-13(8-10-20)17(2,3)4/h5-7,11-12H,8-10,19H2,1-4H3
InChIKeyZTRYUQRJXWWQSC-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.54
Rot. Bonds2

About 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine

1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine (PubChem CID 114460203) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine
PubChem CID114460203
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine
SMILESCC(N)c1ccc(N2CC=C(C(C)(C)C)CC2)cc1Cl
InChIInChI=1S/C17H25ClN2/c1-12(19)15-6-5-14(11-16(15)18)20-9-7-13(8-10-20)17(2,3)4/h5-7,11-12H,8-10,19H2,1-4H3
InChIKeyZTRYUQRJXWWQSC-UHFFFAOYSA-N
XLogP4.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 114460209
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929006
(1R)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929007
[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chlorophenyl]methanamine
CID 114459794
[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81204221
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-chlorophenyl]ethanamine
CID 102726748
1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940
1-[2-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanamine
CID 64577059
1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587278
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanamine
CID 114460236
[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
CID 102814339
1-[2-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 81199647

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine?
The IUPAC name of 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine (CID 114460203) is 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine?
The canonical SMILES for 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine is CC(N)c1ccc(N2CC=C(C(C)(C)C)CC2)cc1Cl.
What is the InChIKey of 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine?
The InChIKey is ZTRYUQRJXWWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-12(19)15-6-5-14(11-16(15)18)20-9-7-13(8-10-20)17(2,3)4/h5-7,11-12H,8-10,19H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine?
1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine has a molecular weight of 292.85 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-chlorophenyl]ethanamine is sourced from PubChem (CID 114460203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).